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99845-72-4 | (4-AMINO-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL)ACETONITRILE
CAS No: 99845-72-4 Catalog No: AG004X7E MDL No:
Product Description
Catalog Number:
AG004X7E
Chemical Name:
(4-AMINO-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL)ACETONITRILE
CAS Number:
99845-72-4
Molecular Formula:
C11H10N6
Molecular Weight:
226.2373
IUPAC Name:
2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile
InChI:
InChI=1S/C11H10N6/c12-7-6-9-15-10(13)17-11(16-9)14-8-4-2-1-3-5-8/h1-5H,6H2,(H3,13,14,15,16,17)
InChI Key:
WUDAGWKSEJVISS-UHFFFAOYSA-N
SMILES:
N#CCc1nc(Nc2ccccc2)nc(n1)N
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.097g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.243g/mol
Monoisotopic Mass:
226.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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